SCHEMBL657435

SCHEMBL657435

O=C(O)CCN(C(=O)Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
CNR2 P34972 3/20 0.50
CNR1 P21554 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
PTGIR P43119 2/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL657249 0.94 CNR2 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL657674 0.87 CNR2 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL656829 0.85 CNR2 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL658329 0.85 HDAC3 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL657395 0.84 SMN1; SMN2 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL2364902 0.82 CNR2 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL656749 0.81 ALDH1A1 (0.46) TP53
SCHEMBL27983581 0.79 CNR2 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL3846324 0.78 CNR2 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL21800137 0.78 KMT2A (0.56) CNR2CNR1MEN1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB HDAC1 2479/4885HDAC6 1601/4885HDAC3 2060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.